Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.6 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (48 articles)

2459 - 2461	H atom elimination from the pi sigma* state in the photodissociation of phenol Tseng CM, Lee YT, Ni CK
2462 - 2465	The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules Zgierski MZ, Lim EC
2466 - 2470	A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems Yazyev OV, Brothers EN, Kudin KN, Scuseria GE
2471 - 2482	Quantum hydrodynamics: Application to N-dimensional reactive scattering Kendrick BK
2483 - 2490	Second order Moller-Plesset perturbation theory based upon the fragment molecular orbital method Fedorov DG, Kitaura K
2491 - 2504	Replica-exchange extensions of simulated tempering method Mitsutake A, Okamoto Y
2505 - 2514	Non-Markovian theories based on a decomposition of the spectral density Kleinekathofer U
2515 - 2527	Interpolation of diabatic potential energy surfaces Evenhuis CR, Collins MA
2528 - 2535	Optimal control theory for a target state distributed in time: Optimizing the probe-pulse signal of a pump-probe-scheme Kaiser A, May V
2536 - 2541	Memory effect in friction on a particle caused by a system of fixed or moving scatterers with power law potential Felderhof BU, Vehns T
2542 - 2552	Non-Markovian theory of open systems in classical limit Neufeld AA
2553 - 2557	Laplace-transformed diagonal Dyson correction to quasiparticle energies in periodic systems Pino R, Scuseria GE
2558 - 2562	Theoretical study of nitric oxide adsorption on Au clusters Ding XL, Li ZY, Yang JL, Hou JG, Zhu QS
2563 - 2570	Density and wave function analysis of actinide complexes: What can fuzzy atom, atoms-in-molecules, Mulliken, Lowdin, and natural population analysis tell us? Clark AE, Sonnenberg JL, Hay PJ, Martin RL
2571 - 2577	Quasiclassical trajectory study of the collision-induced dissociation of CH3SH++Ar Martinez-Nunez E, Vazquez SA, Marques JMC
2578 - 2590	H atom transfer along an ammonia chain: Tunneling and mode selectivity in 7-hydroxyquinoline center dot(NH3)(3) Manca C, Tanner C, Coussan S, Bach A, Leutwyler S
2591 - 2597	The first observation of the rhodium monofluoride molecule: Jet-cooled laser spectroscopic studies Li RH, Jensen RH, Balfour WJ, Shepard SA, Adam AG
2598 - 2610	Geometry change of simple aromatics upon electronic excitation obtained from Franck-Condon fits of dispersed fluorescence spectra Imhof P, Krugler D, Brause R, Kleinermanns K
2611 - 2616	Does chlorine peroxide absorb below 250 nm? Peterson KA, Francisco JS
2617 - 2621	Far-infrared absorption by collisionally interacting nitrogen and methane molecules Buser M, Frommhold L, Gustafsson M, Moraldi M, Champagne MH, Hunt KLC
2622 - 2629	One-photon mass-analyzed threshold ionization spectroscopy of 1,3,5-trifluorobenzene: The Jahn-Teller effect and vibrational analysis for the molecular cation in the ground electronic state Kwon CH, Kim MS
2630 - 2635	Ab initio potential energy surface and rovibrational spectrum of Ar-HCCCN Zhou YZ, Xie DQ
2636 - 2645	An ab initio study of the hyperfine structure in the X-2 Pi electronic state of CCCH Peric M, Mladenovic M, Engels B
2646 - 2648	On the ground state of titanium phosphide, TiP: A theoretical investigation Tzeli D, Mavridis A
2649 - 2654	Electronic structures of exohedral lanthanide-C-60 clusters Suzumura J, Hosoya N, Nagao S, Mitsui M, Nakajima A
2655 - 2663	High-level ab initio calculations for the four low-lying families of minima of (H2O)(20). I. Estimates of MP2/CBS binding energies and comparison with empirical potentials Fanourgakis GS, Apra E, Xantheas SS
2664 - 2672	Complex oscillations in a simple model for the Briggs-Rauscher reaction Kim KR, Shin KJ, Lee DJ
2673 - 2684	Decoherence in an anharmonic oscillator coupled to a thermal environment: A semiclassical forward-backward approach Elran Y, Brumer P
2685 - 2693	Optimal laser control of ultrafast photodissociation of I-2(-) in water: Mixed quantum/classical molecular dynamics simulation Nishiyama Y, Kato T, Ohtsuki Y, Fujimura Y
2694 - 2700	Near infrared study of water-benzene mixtures at high temperatures and pressures Jin Y, Ikawa S
2701 - 2710	UV spectra of benzene isotopomers and dimers in helium nanodroplets Schmied R, Carcabal P, Dokter AM, Lonij VPA, Lehmann KK, Scoles G
2711 - 2714	The effective fragment potential: Small clusters and radial distribution functions Netzloff HM, Gordon MS
2715 - 2717	Compressibility and specific heats of heavier condensed rare gases near the liquid-vapor critical point March NH
2718 - 2728	Thermodynamic derivations of conditions for chemical equilibrium and of Onsager reciprocal relations for chemical reactors Beretta GP, Gyftopoulos EP
2729 - 2736	Raman H-bond pair volume for water Walrafen GE
2737 - 2745	The mechanism of N2O formation via the (NO)(2) dimer: A density functional theory study Burch R, Daniells ST, Hu P
2746 - 2751	Study of chemically induced pressure generation of hydrogels under isochoric conditions using a microfabricated device Herber S, Eijkel J, Olthuis W, Bergveld P, van den Berg A
2752 - 2757	Study of the hydrostatic pressure dependence of the Raman spectrum of single-walled carbon nanotubes and nanospheres Amer MS, El-Ashry MM, Maguire JF
2758 - 2764	Vertical diffusion of water molecules near the surface of ice Jung KH, Park SC, Kim JH, Kang H
2765 - 2774	H/D isotopic exchange between water molecules at ice surfaces Park SC, Jung KH, Kang H
2775 - 2779	Molecular dynamics study of the catalyst particle size dependence on carbon nanotube growth Ding F, Rosen A, Bolton K
2780 - 2787	In situ high P-T Raman spectroscopy and laser heating of carbon dioxide Santoro M, Lin JF, Mao HK, Hemley RJ
2788 - 2797	Comparison of random-walk density functional theory to simulation for bead-spring homopolymer melts Frischknecht AL, Curro JG
2798 - 2805	Formation and structure of the microemulsion phase in two-dimensional ternary AB+A+B polymeric emulsions Duchs D, Schmid F
2806 - 2812	Microphase separation of weakly charged block polyelectrolyte solutions: Donnan theory for dynamic polymer morphologies Kyrylyuk AV, Fraaije JGEM
2813 - 2822	Dynamical heterogeneities close to a colloidal gel Puertas AM, Fuchs M, Cates ME
2823 - 2832	Characterization of polyethylene crystallization from an oriented melt by molecular dynamics simulation Ko MJ, Waheed N, Lavine MS, Rutledge GC
2833 - 2843	Interdiffusion in a polydisperse polymer blend Yashin VV, Balazs AC